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Home > Fluorides > 795274-69-0
795274-69-0 | 1H-Pyrrole, 2-[3,5-bis(trifluoromethyl)phenyl]-
CAS No: 795274-69-0 Catalog No: AG0051E4 MDL No:MFCD31567169
Product Description
Catalog Number:
AG0051E4
Chemical Name:
1H-Pyrrole, 2-[3,5-bis(trifluoromethyl)phenyl]-
CAS Number:
795274-69-0
Molecular Formula:
C12H7F6N
Molecular Weight:
279.1811
MDL Number:
MFCD31567169
IUPAC Name:
2-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrrole
InChI:
InChI=1S/C12H7F6N/c13-11(14,15)8-4-7(10-2-1-3-19-10)5-9(6-8)12(16,17)18/h1-6,19H
InChI Key:
UDNQTIAMOLTENJ-UHFFFAOYSA-N
SMILES:
FC(c1cc(cc(c1)c1ccc[nH]1)C(F)(F)F)(F)F
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.185g/mol
Monoisotopic Mass:
279.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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